3-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]-1H-quinazoline-2,4-dione CAS Name: 3-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]-1H-quinazoline-2,4-quinone Formula: C23H19N3O4S2 MolecularWeight: 465.54466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)S(=O)(=O)C3=CC=CC(=C3)N4C(=O)C5=CC=CC=C5NC4=O

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)S(=O)(=O)C3=CC=CC(=C3)N4C(=O)C5=CC=CC=C5NC4=O

InChI

InChI=1S/C23H19N3O4S2/c27-22-18-9-1-2-10-19(18)24-23(28)26(22)16-7-5-8-17(15-16)32(29,30)25-13-6-14-31-21-12-4-3-11-20(21)25/h1-5,7-12,15H,6,13-14H2,(H,24,28)